SCHEMBL20121068

SCHEMBL20121068

COC1CCN(C(=O)c2ccc3c(c2)nc(-c2cc4cccnc4n2CC2CC2)n3C)CC1N

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PADI4 Q9UM07 20/20 0.60
PDE4A P27815 1/20 0.54
PDE4B Q07343 1/20 0.54
PDE4C Q08493 1/20 0.54
PDE4D Q08499 1/20 0.54

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29850523 1.00 PADI4 (0.60) PADI4PDE4APDE4BPDE4CPDE4D
SCHEMBL29850549 1.00 PADI4 (0.60) PADI4PDE4APDE4BPDE4CPDE4D
SCHEMBL29850807 1.00 PADI4 (0.60) PADI4PDE4APDE4BPDE4CPDE4D
SCHEMBL18969387 1.00 PADI4 (0.60) PADI4PDE4APDE4BPDE4CPDE4D
SCHEMBL18969390 1.00 PADI4 (0.60) PADI4PDE4APDE4BPDE4CPDE4D
Trifluoroacetic Acid SCHEMBL18956447 0.95 PADI4 (0.56) PADI4PDE4APDE4BPDE4CPDE4D
Trifluoroacetic Acid SCHEMBL18956689 0.95 PADI4 (0.56) PADI4PDE4APDE4BPDE4CPDE4D
SCHEMBL18969381 0.90 PADI4 (0.63) PADI4
SCHEMBL19826004 0.90 PADI4 (0.63) PADI4PDE4APDE4BPDE4CPDE4D
SCHEMBL18969377 0.90 PADI4 (0.63) PADI4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3885342-B1 BICYCLIC INHIBITORS OF PAD4 PADLOCK THERAPEUTICS INC (US) 2024-11-20 EP disclosed
EP-3885342-A1 BICYCLIC INHIBITORS OF PAD4 Padlock Therapeutics, Inc. (US) 2021-09-29 EP disclosed
US-9963448-B2 Bicyclic inhibitors of PAD4 PADLOCK THERAPEUTICS, INC. (US) 2018-05-08 US disclosed
US-9963448-B2 Bicyclic inhibitors of PAD4 PADLOCK THERAPEUTICS, INC. (US) 2018-05-08 US disclosed